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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00477343

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZCA1EFY0.76
9502-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2O0.72
H35N-(FURAN-2-YLMETHYL)-7H-PURIN-6-
AMINE
A2UY50.71
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.71
C1BH2B7D0.72
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BAC0.72
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BA90.72
1FN1-(4-fluorophenyl)-N-[3-fluoro-
4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-
2-oxo-1,2-dihydropyridine-3-carboxamide
A3CE30.7
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
B1LPG0.72
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
A1LQE0.72
HBM2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-
1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-
(4-METHANESULFONYLAMINO-PHENYL)-
ETHYL]-AMIDE
A2O5K0.7
2CABENZOFURAN-2-CARBOXYLIC ACID {(S)-
3-METHYL-1-[3-OXO-1-(PYRIDIN-2-
YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE
A,B1NLJ0.7
R64(1-METHYL-1H-IMIDAZOL-2-YL)-(3-
METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-
AMINO]-PROPOXY}-BENZOFURAN-2-YL)-
METHANONE
A,B,C1IYL0.72
3593-[[3-[(2R)-3-[[(2S)-5-amino-1-
[(4-carbamimidoylphenyl)methylamino]-
1,5-dioxo-pentan-2-yl]amino]-2-
(ethylsulfonylamino)-3-oxo-propyl]-
1H-indol-5-yl]oxymethyl]benzoic acid
H,L2ZZU0.72
GIGMETHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
1H-BENZIMIDAZOL-2-YL)CARBAMATE
A2OH40.72
T121-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-
1H-BENZIMIDAZOL-5-YL PIVALATE
A,B,C,D2NRU0.7
UA4(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2-(3,5-DIFLUOROPHENYL)-4-
(3-METHOXYPROPYL)-2-METHYL-2H-1,4-
BENZOXAZIN-3(4H)-ONE
A,B2I4Q0.7
L2GN-(4-{1-[4-(4-ACETYLPIPERAZIN-1-
YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE
A,B2C0O0.71
MR94-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-
4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-
4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2P4I0.7
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H1O5D0.72
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H1O5F0.72
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
B1O5C0.72
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H,I1O5G0.72
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
A1O2R0.72
L1GN-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-
1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-
1-METHYL-1H-INDOLE-2-CARBOXAMIDE
A,B2C0I0.71
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE
A1PF80.76
3122-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-METHOXY-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
A1O2Z0.73
AAZN-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-
5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-
2-AMINE
A1Y6A0.7
7117-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-2-METHYL-BENZIMIDAZOL-
1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID
A1QBO0.7
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B403D0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A129D0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B130D0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A3F8C0.72
IZEN-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-
3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-
1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-
2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE
A2CNG0.7
AK64-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-
b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
A3DJ60.78
GNFN~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-
N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-
L-ALANINAMIDE
A,B2F1G0.75
GS22-[(2-{[1-(N,N-dimethylglycyl)-
5-methoxy-1H-indol-6-yl]amino}-
7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-
6-fluoro-N-methylbenzamide
A3EKK0.76
2764-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-
3H-benzimidazol-5-yl]oxy]-N-methyl-
pyridine-2-carboxamide
A2QU50.74
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
G2FJV0.74
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
B2FJX0.74
6932-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-FLUORO-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
A1O300.71
P416-[4-(2-fluorophenyl)-1,3-oxazol-
5-yl]-N-(1-methylethyl)-1,3-benzothiazol-
2-amine
A3C5U0.73
E97[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-
PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-
2-YL}-PHENOXY)-PROPYL]-DIMETHYL-
AMINE
A1FTD0.74
G372-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-
2-YLMETHYLCARBAMOYL)-1-BENZYL-2-
HYDROXYPROPYL]-AMIDE
A1HTG0.73
35FN-{3-[5-(1H-1,2,4-triazol-3-yl)-
1H-indazol-3-yl]phenyl}furan-2-
carboxamide
A,B3E7O0.76
310N-carbamimidoyl-2-[2-(2-chlorophenyl)-
5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-
1-yl]ethanamide
A2ZDZ0.71
5PIN-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-
N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-
L-GLUTAMAMIDE
H,L1WV70.73
IZBN-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-
2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]PHENYL}ETHYL]-4-METHYL-3,4-
DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE
A2CNH0.77
1336-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-
PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GJ80.7
GS72-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-
7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
A3ELJ0.75
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
B1O3P0.71
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2I0.71
FLXN-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL-
(R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]-
PHOSPHONIC ACID
A4AIG0.74
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3M0.71
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3O0.71
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3N0.71
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D,U,X1FM60.7
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B2PRG0.7
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A1ZGY0.7
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B3CS80.7
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D3DZY0.7
N414-(6-CYCLOHEXYLMETHOXY-9H-PURIN-
2-YLAMINO)--BENZAMIDE
A,B,C,D1OIY0.72
FMMN-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-
6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-
2-FURYL]-4-QUINAZOLINAMINE
B,D3BBT0.71
FMMN-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-
6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-
2-FURYL]-4-QUINAZOLINAMINE
A1XKK0.71
E896-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE
A,D1Y5X0.73
3202-(4-fluorophenyl)-N-{[3-fluoro-
4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
A3CTJ0.73
L3GN-(4-{4-AMINO-1-[1-(TETRAHYDRO-
2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE
A,B2C0T0.7
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I2I0.85
FRL1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-
1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1WXZ0.72
DRJ(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4J0.72
4IG(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2-(3,5-DIFLUOROPHENYL)-4-
(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-
3(4H)-ONE
A,B2G1S0.7
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4P0.72
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4Z0.72
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE
A2Z600.7
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE
A,B2QOH0.7
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2K0.71
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2J0.71